Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4VJG35CQV3
EPA CompTox DTXSID6061600

Structure

InChI Key AEKVBBNGWBBYLL-UHFFFAOYSA-N
Smiles N#CC1=CC=C(F)C=C1
InChI
InChI=1/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4FN
Molecular Weight 121.03
AlogP 1.7
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 1194-02-1
NORMAN SUSDAT
FDA SRS 4VJG35CQV3
PubChem 14517